| Number |
qtl-m0046 |
| Declustering Potential(DP) |
10 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
168.1014 |
| Exact mass(Da) |
168.1019 |
| Accurate mass error(ppm) |
3 |
| Molecular formula |
C9H13NO2 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
168.1 |
| Product ions(Q3) |
68.2 |
| Main fragments |
68.2, 65.9, 94.1, 105.9 |
| Compound |
3-Methoxytyramine |
| Identification |
putative |
| class |
Amino acid |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:1582 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
554-52-9;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
3-methoxytyramine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C9H13NO2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
4-(2-aminoethyl)-2-methoxyphenol;; |
| InChI |
InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3;; |
| InChIKey |
DIVQKHQLANKJQO-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C05587 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
03 Mar 2016;; |
| Mass |
167.205;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
223438743;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
872373;;7251775;;7004664;;6749220;;4281061;;4073504;;3434205;;2927387;;262188;;19309105;;15556832;;15542730;;15120096;;12649306;;12138004;;12105105;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
C1(=CC(=CC=C1O)CCN)OC;; |
| Secondary ChEBI ID |
|
| Star |
2;; |
| Synonyms |
5-(2-Aminoethyl)guaiacol;;4-(2-azanylethyl)-2-methoxy-phenol;;4-(2-aminoethyl)-2-methoxyphenol;;4-(2-aminoethyl)-2-methoxy-phenol;;4-(2-Amino-ethyl)-2-methoxy-phenol;;3-O-Methyldopamine;;3-Methoxytyramine;;3-Methoxy-4-hydroxyphenylethyl amine;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
